NPASS Natural Product

Natural Product: NPC73655

Natural Product ID:	NPC73655
Common Name:	Actinoramide A
IUPAC Name:	(3S)-N-[(2S,3S,4S)-5-[[(3S)-1-carbamoyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide
Synonyms:
Molecular Formula:	C31H47N7O9
Standard InCHIKey:	IAYPOIKGUHHBAU-DYTCPEOESA-N
Standard InCHI:	InChI=1S/C31H47N7O9/c1-17(2)25(40)24(36-23(39)16-47-4)30(45)38-22(11-8-13-33-38)28(43)35-21(15-19-9-6-5-7-10-19)26(41)18(3)27(42)34-20-12-14-37(29(20)44)31(32)46/h5-7,9-10,17-18,20-22,24-26,33,40-41H,8,11-16H2,1-4H3,(H2,32,46)(H,34,42)(H,35,43)(H,36,39)/t18-,20-,21-,22-,24+,25+,26-/m0/s1
Canonical SMILES:	COCC(=N[C@@H](C(=O)N1NCCC[C@H]1C(=N[C@H]([C@H]([C@@H](C(=N[C@H]1CCN(C1=O)C(=N)O)O)C)O)Cc1ccccc1)O)[C@@H](C(C)C)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO30376	Streptomyces sp.	Species	Streptomycetaceae	Bacteria				PMID[26465675]

Biological Activity

Activity Type	# Activity
EC50	6

Activity Type	# Activity
Cell Line	1
Organism	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	200	nM	16870428
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	200	nM	17154505
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	200	nM	12662101
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	200	nM	18197599
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	200	nM	23905700
NPT15	Cell Line	Jurkat	Homo sapiens	EC50	=	90000	nM	20045651

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC73655 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	117
0.1-0.2	676
0.2-0.3	2804
0.3-0.4	14129
0.4-0.5	11313
0.5-0.6	1416
0.6-0.7	320
0.7-0.8	112
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8137	Intermediate Similarity	NPC62104
0.8137	Intermediate Similarity	NPC1390
0.7939	Intermediate Similarity	NPC210377
0.7939	Intermediate Similarity	NPC5719
0.7939	Intermediate Similarity	NPC22883
0.7939	Intermediate Similarity	NPC217804
0.7862	Intermediate Similarity	NPC2501
0.7844	Intermediate Similarity	NPC63040
0.7834	Intermediate Similarity	NPC315266
0.7826	Intermediate Similarity	NPC122590
0.7784	Intermediate Similarity	NPC15068
0.7764	Intermediate Similarity	NPC162104
0.7744	Intermediate Similarity	NPC197743
0.7744	Intermediate Similarity	NPC297145
0.7712	Intermediate Similarity	NPC287401
0.7703	Intermediate Similarity	NPC6975
0.7658	Intermediate Similarity	NPC52748
0.7651	Intermediate Similarity	NPC471527
0.7635	Intermediate Similarity	NPC252878
0.7616	Intermediate Similarity	NPC319766
0.7607	Intermediate Similarity	NPC473341
0.7595	Intermediate Similarity	NPC176226
0.7584	Intermediate Similarity	NPC46427
0.758	Intermediate Similarity	NPC476259
0.758	Intermediate Similarity	NPC163392
0.758	Intermediate Similarity	NPC239762
0.7568	Intermediate Similarity	NPC202521
0.753	Intermediate Similarity	NPC324850
0.75	Intermediate Similarity	NPC476990
0.7469	Intermediate Similarity	NPC471820
0.7469	Intermediate Similarity	NPC471821
0.7468	Intermediate Similarity	NPC130309
0.7468	Intermediate Similarity	NPC307357
0.7468	Intermediate Similarity	NPC46098
0.7468	Intermediate Similarity	NPC268841
0.7452	Intermediate Similarity	NPC68865
0.7438	Intermediate Similarity	NPC476978
0.7436	Intermediate Similarity	NPC248283
0.7421	Intermediate Similarity	NPC168113
0.7384	Intermediate Similarity	NPC280022
0.7378	Intermediate Similarity	NPC7817
0.7378	Intermediate Similarity	NPC475168
0.7375	Intermediate Similarity	NPC197682
0.7342	Intermediate Similarity	NPC127741
0.7342	Intermediate Similarity	NPC471265
0.7342	Intermediate Similarity	NPC471264
0.7333	Intermediate Similarity	NPC300443
0.7325	Intermediate Similarity	NPC141050
0.7296	Intermediate Similarity	NPC132636
0.7284	Intermediate Similarity	NPC5620
0.7267	Intermediate Similarity	NPC161069
0.7246	Intermediate Similarity	NPC470902
0.7239	Intermediate Similarity	NPC262077
0.7239	Intermediate Similarity	NPC314358
0.7234	Intermediate Similarity	NPC477551
0.7219	Intermediate Similarity	NPC71684
0.7219	Intermediate Similarity	NPC477550
0.7219	Intermediate Similarity	NPC477552
0.7216	Intermediate Similarity	NPC477462
0.7207	Intermediate Similarity	NPC473404
0.7205	Intermediate Similarity	NPC269398
0.7205	Intermediate Similarity	NPC263493
0.7198	Intermediate Similarity	NPC94862
0.7195	Intermediate Similarity	NPC145113
0.7195	Intermediate Similarity	NPC135121
0.7191	Intermediate Similarity	NPC97526
0.7191	Intermediate Similarity	NPC119652
0.7181	Intermediate Similarity	NPC470545
0.7178	Intermediate Similarity	NPC209509
0.7178	Intermediate Similarity	NPC316008
0.7178	Intermediate Similarity	NPC313867
0.7176	Intermediate Similarity	NPC24617
0.716	Intermediate Similarity	NPC77905
0.7158	Intermediate Similarity	NPC102959
0.7152	Intermediate Similarity	NPC200964
0.7151	Intermediate Similarity	NPC471052
0.7151	Intermediate Similarity	NPC471051
0.7151	Intermediate Similarity	NPC471053
0.7143	Intermediate Similarity	NPC475123
0.7143	Intermediate Similarity	NPC475204
0.7135	Intermediate Similarity	NPC114806
0.7134	Intermediate Similarity	NPC314114
0.7134	Intermediate Similarity	NPC255447
0.7133	Intermediate Similarity	NPC470546
0.7124	Intermediate Similarity	NPC175726
0.7124	Intermediate Similarity	NPC474082
0.712	Intermediate Similarity	NPC60516
0.7119	Intermediate Similarity	NPC471165
0.7117	Intermediate Similarity	NPC315283
0.7117	Intermediate Similarity	NPC314388
0.7114	Intermediate Similarity	NPC470544
0.7108	Intermediate Similarity	NPC129666
0.7102	Intermediate Similarity	NPC328494
0.7101	Intermediate Similarity	NPC476268
0.7091	Intermediate Similarity	NPC311658
0.7091	Intermediate Similarity	NPC138775
0.7081	Intermediate Similarity	NPC476133
0.7081	Intermediate Similarity	NPC470884
0.7081	Intermediate Similarity	NPC92784
0.7081	Intermediate Similarity	NPC178662
0.7081	Intermediate Similarity	NPC98424
0.7076	Intermediate Similarity	NPC469898
0.7073	Intermediate Similarity	NPC477217
0.7073	Intermediate Similarity	NPC201244
0.7045	Intermediate Similarity	NPC46009
0.7032	Intermediate Similarity	NPC101719
0.7022	Intermediate Similarity	NPC26108
0.702	Intermediate Similarity	NPC314992
0.7011	Intermediate Similarity	NPC63931
0.7006	Intermediate Similarity	NPC473322
0.7006	Intermediate Similarity	NPC469666
0.7006	Intermediate Similarity	NPC111428
0.7005	Intermediate Similarity	NPC302715
0.7	Intermediate Similarity	NPC244509
0.6994	Remote Similarity	NPC469426
0.6994	Remote Similarity	NPC469427
0.6989	Remote Similarity	NPC473000
0.6988	Remote Similarity	NPC225648
0.6988	Remote Similarity	NPC329761
0.6983	Remote Similarity	NPC50016
0.6977	Remote Similarity	NPC244336
0.6968	Remote Similarity	NPC222466
0.6966	Remote Similarity	NPC273755
0.6964	Remote Similarity	NPC473491
0.6962	Remote Similarity	NPC300315
0.6961	Remote Similarity	NPC472999
0.6951	Remote Similarity	NPC139326
0.6935	Remote Similarity	NPC240130
0.6935	Remote Similarity	NPC61332
0.6928	Remote Similarity	NPC478016
0.6928	Remote Similarity	NPC478015
0.6928	Remote Similarity	NPC478014
0.6919	Remote Similarity	NPC96275
0.691	Remote Similarity	NPC89831
0.6903	Remote Similarity	NPC35996
0.6893	Remote Similarity	NPC129486
0.6887	Remote Similarity	NPC2265
0.6878	Remote Similarity	NPC477632
0.6878	Remote Similarity	NPC477638
0.6872	Remote Similarity	NPC475532
0.6867	Remote Similarity	NPC322878
0.6855	Remote Similarity	NPC200589
0.6845	Remote Similarity	NPC51047
0.6845	Remote Similarity	NPC240848
0.6839	Remote Similarity	NPC469901
0.6836	Remote Similarity	NPC209463
0.6833	Remote Similarity	NPC165285
0.6833	Remote Similarity	NPC17698
0.6833	Remote Similarity	NPC473354
0.6813	Remote Similarity	NPC45037
0.6797	Remote Similarity	NPC237420
0.6791	Remote Similarity	NPC246591
0.6788	Remote Similarity	NPC469443
0.6784	Remote Similarity	NPC56685
0.6784	Remote Similarity	NPC262166
0.6778	Remote Similarity	NPC137627
0.6776	Remote Similarity	NPC315276
0.6776	Remote Similarity	NPC475409
0.6776	Remote Similarity	NPC475564
0.6776	Remote Similarity	NPC14672
0.6776	Remote Similarity	NPC285926
0.6776	Remote Similarity	NPC170302
0.6772	Remote Similarity	NPC477631
0.6772	Remote Similarity	NPC477937
0.6755	Remote Similarity	NPC33742
0.6754	Remote Similarity	NPC329295
0.6752	Remote Similarity	NPC22746
0.6748	Remote Similarity	NPC314835
0.6746	Remote Similarity	NPC105717
0.6742	Remote Similarity	NPC107938
0.6742	Remote Similarity	NPC294516
0.6737	Remote Similarity	NPC314083
0.672	Remote Similarity	NPC299806
0.672	Remote Similarity	NPC470728
0.671	Remote Similarity	NPC45777
0.671	Remote Similarity	NPC477061
0.6706	Remote Similarity	NPC283783
0.6705	Remote Similarity	NPC469903
0.6703	Remote Similarity	NPC469900
0.6702	Remote Similarity	NPC80514
0.6685	Remote Similarity	NPC306804
0.6685	Remote Similarity	NPC248670
0.6685	Remote Similarity	NPC61004
0.6667	Remote Similarity	NPC325479
0.6667	Remote Similarity	NPC473693
0.6667	Remote Similarity	NPC239357
0.6667	Remote Similarity	NPC40234
0.6667	Remote Similarity	NPC477636
0.6667	Remote Similarity	NPC196091
0.6667	Remote Similarity	NPC473546
0.6667	Remote Similarity	NPC471568
0.6649	Remote Similarity	NPC476321
0.6649	Remote Similarity	NPC477637
0.6648	Remote Similarity	NPC469243
0.6648	Remote Similarity	NPC476227
0.6648	Remote Similarity	NPC328649
0.6646	Remote Similarity	NPC69496
0.6629	Remote Similarity	NPC326349
0.6629	Remote Similarity	NPC323336
0.6624	Remote Similarity	NPC317474

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC73655 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	105
0.1-0.2	286
0.2-0.3	604
0.3-0.4	1705
0.4-0.5	4423
0.5-0.6	1765
0.6-0.7	252
0.7-0.8	19
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8026	Intermediate Similarity	NPD8172	Phase 2
0.8026	Intermediate Similarity	NPD8173	Phase 2
0.7547	Intermediate Similarity	NPD5341	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD4782	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD4791	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD7113	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD8076	Discontinued
0.7273	Intermediate Similarity	NPD5339	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD7728	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD7749	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD3632	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD6901	Phase 3
0.7135	Intermediate Similarity	NPD5681	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD6676	Phase 2
0.7091	Intermediate Similarity	NPD8323	Discontinued
0.7059	Intermediate Similarity	NPD8417	Discontinued
0.7048	Intermediate Similarity	NPD8290	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD7342	Discontinued
0.702	Intermediate Similarity	NPD2218	Phase 2
0.702	Intermediate Similarity	NPD2217	Approved
0.7	Intermediate Similarity	NPD8416	Discontinued
0.6994	Remote Similarity	NPD7080	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD6852	Discontinued
0.6957	Remote Similarity	NPD4757	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7836	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7613	Discontinued
0.6923	Remote Similarity	NPD6078	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD6681	Discovery
0.6894	Remote Similarity	NPD8265	Approved
0.6875	Remote Similarity	NPD8303	Discontinued
0.686	Remote Similarity	NPD7267	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD7979	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD8643	Discontinued
0.6839	Remote Similarity	NPD4706	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7118	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6073	Approved
0.6795	Remote Similarity	NPD2584	Suspended
0.6792	Remote Similarity	NPD4175	Approved
0.6792	Remote Similarity	NPD3626	Phase 3
0.6792	Remote Similarity	NPD4177	Approved
0.679	Remote Similarity	NPD5296	Approved
0.6766	Remote Similarity	NPD6860	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD4152	Approved
0.6744	Remote Similarity	NPD6670	Clinical (unspecified phase)
0.673	Remote Similarity	NPD3588	Discontinued
0.673	Remote Similarity	NPD3604	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD6919	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD5725	Approved
0.6706	Remote Similarity	NPD6088	Approved
0.6706	Remote Similarity	NPD7892	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3072	Approved
0.6688	Remote Similarity	NPD3071	Approved
0.6688	Remote Similarity	NPD3073	Approved
0.6687	Remote Similarity	NPD4153	Approved
0.6667	Remote Similarity	NPD1329	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2585	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1330	Phase 2
0.6647	Remote Similarity	NPD8315	Phase 1
0.6646	Remote Similarity	NPD4677	Discontinued
0.6646	Remote Similarity	NPD2613	Approved
0.6646	Remote Similarity	NPD5263	Approved
0.6627	Remote Similarity	NPD5301	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD5747	Discontinued
0.6625	Remote Similarity	NPD4151	Approved
0.6624	Remote Similarity	NPD2608	Approved
0.6624	Remote Similarity	NPD4215	Approved
0.6624	Remote Similarity	NPD2610	Approved
0.6624	Remote Similarity	NPD2611	Approved
0.6624	Remote Similarity	NPD4761	Approved
0.6624	Remote Similarity	NPD4217	Approved
0.6624	Remote Similarity	NPD4216	Approved
0.6624	Remote Similarity	NPD3132	Approved
0.6624	Remote Similarity	NPD4218	Approved
0.6624	Remote Similarity	NPD3131	Approved
0.6624	Remote Similarity	NPD2612	Approved
0.6624	Remote Similarity	NPD2609	Approved
0.6624	Remote Similarity	NPD4762	Approved
0.6623	Remote Similarity	NPD7522	Discontinued
0.6608	Remote Similarity	NPD5614	Approved
0.6608	Remote Similarity	NPD5613	Approved
0.6584	Remote Similarity	NPD3040	Approved
0.6554	Remote Similarity	NPD4557	Approved
0.6545	Remote Similarity	NPD3908	Approved
0.6543	Remote Similarity	NPD4676	Approved
0.6543	Remote Similarity	NPD4125	Approved
0.6524	Remote Similarity	NPD4746	Phase 3
0.6524	Remote Similarity	NPD2570	Approved
0.6524	Remote Similarity	NPD2574	Discontinued
0.6524	Remote Similarity	NPD2571	Approved
0.6524	Remote Similarity	NPD4745	Approved
0.6524	Remote Similarity	NPD7634	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD3088	Approved
0.6524	Remote Similarity	NPD3614	Approved
0.6524	Remote Similarity	NPD3089	Approved
0.6524	Remote Similarity	NPD2573	Approved
0.6524	Remote Similarity	NPD3090	Approved
0.6524	Remote Similarity	NPD3615	Approved
0.6524	Remote Similarity	NPD3087	Approved
0.6524	Remote Similarity	NPD3616	Approved
0.6524	Remote Similarity	NPD2566	Approved
0.6524	Remote Similarity	NPD2572	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD6631	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD6119	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD7593	Clinical (unspecified phase)
0.65	Remote Similarity	NPD6792	Phase 3
0.6494	Remote Similarity	NPD7508	Discontinued
0.6485	Remote Similarity	NPD5323	Approved
0.6485	Remote Similarity	NPD6623	Phase 3
0.648	Remote Similarity	NPD8351	Phase 2
0.6467	Remote Similarity	NPD5200	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD6295	Approved
0.6467	Remote Similarity	NPD6294	Approved
0.6453	Remote Similarity	NPD3519	Discontinued
0.645	Remote Similarity	NPD7720	Phase 2
0.6446	Remote Similarity	NPD4684	Phase 3
0.6446	Remote Similarity	NPD4686	Approved
0.6446	Remote Similarity	NPD4685	Phase 3
0.6433	Remote Similarity	NPD4504	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD7484	Phase 3
0.6429	Remote Similarity	NPD7485	Phase 3
0.6425	Remote Similarity	NPD6646	Discontinued
0.6402	Remote Similarity	NPD4794	Discontinued
0.6398	Remote Similarity	NPD5367	Discontinued
0.6368	Remote Similarity	NPD6557	Phase 2
0.6364	Remote Similarity	NPD5581	Approved
0.6364	Remote Similarity	NPD5299	Approved
0.6364	Remote Similarity	NPD7908	Discontinued
0.6353	Remote Similarity	NPD2088	Approved
0.6353	Remote Similarity	NPD2087	Approved
0.6337	Remote Similarity	NPD2575	Approved
0.6337	Remote Similarity	NPD5298	Clinical (unspecified phase)
0.6328	Remote Similarity	NPD2603	Clinical (unspecified phase)
0.6324	Remote Similarity	NPD8124	Phase 3
0.6324	Remote Similarity	NPD8126	Clinical (unspecified phase)
0.6322	Remote Similarity	NPD3987	Approved
0.6322	Remote Similarity	NPD3988	Approved
0.6319	Remote Similarity	NPD3608	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD2437	Approved
0.6316	Remote Similarity	NPD2436	Approved
0.6313	Remote Similarity	NPD5715	Clinical (unspecified phase)
0.6304	Remote Similarity	NPD7608	Discontinued
0.6303	Remote Similarity	NPD4738	Phase 2
0.6301	Remote Similarity	NPD7602	Clinical (unspecified phase)
0.6286	Remote Similarity	NPD4185	Clinical (unspecified phase)
0.6282	Remote Similarity	NPD1348	Approved
0.6279	Remote Similarity	NPD5264	Approved
0.6279	Remote Similarity	NPD5265	Approved
0.6272	Remote Similarity	NPD4214	Discontinued
0.6271	Remote Similarity	NPD4646	Approved
0.6271	Remote Similarity	NPD4647	Approved
0.6271	Remote Similarity	NPD4648	Approved
0.627	Remote Similarity	NPD5137	Approved
0.6266	Remote Similarity	NPD6343	Approved
0.6266	Remote Similarity	NPD6345	Approved
0.6264	Remote Similarity	NPD6609	Clinical (unspecified phase)
0.6258	Remote Similarity	NPD2625	Approved
0.6258	Remote Similarity	NPD2160	Approved
0.6258	Remote Similarity	NPD2628	Approved
0.6258	Remote Similarity	NPD2159	Approved
0.6258	Remote Similarity	NPD3029	Clinical (unspecified phase)
0.6258	Remote Similarity	NPD2627	Approved
0.6258	Remote Similarity	NPD2626	Approved
0.6257	Remote Similarity	NPD7978	Discontinued
0.6257	Remote Similarity	NPD2022	Approved
0.625	Remote Similarity	NPD3577	Discontinued
0.625	Remote Similarity	NPD5230	Approved
0.625	Remote Similarity	NPD6689	Clinical (unspecified phase)
0.625	Remote Similarity	NPD5229	Approved
0.6238	Remote Similarity	NPD8169	Discontinued
0.6228	Remote Similarity	NPD7086	Phase 2
0.6228	Remote Similarity	NPD8118	Discontinued
0.6228	Remote Similarity	NPD3561	Clinical (unspecified phase)
0.6225	Remote Similarity	NPD7130	Phase 3
0.6222	Remote Similarity	NPD7495	Discontinued
0.622	Remote Similarity	NPD8271	Discontinued
0.6215	Remote Similarity	NPD7523	Phase 3
0.6209	Remote Similarity	NPD4564	Clinical (unspecified phase)
0.6209	Remote Similarity	NPD4565	Clinical (unspecified phase)
0.6205	Remote Similarity	NPD4497	Clinical (unspecified phase)
0.6201	Remote Similarity	NPD7463	Clinical (unspecified phase)
0.6196	Remote Similarity	NPD6325	Discontinued
0.6196	Remote Similarity	NPD3125	Approved
0.6193	Remote Similarity	NPD8339	Clinical (unspecified phase)
0.6193	Remote Similarity	NPD6419	Discontinued
0.6188	Remote Similarity	NPD5723	Approved
0.6176	Remote Similarity	NPD8154	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD4126	Approved
0.6169	Remote Similarity	NPD7817	Phase 1
0.6158	Remote Similarity	NPD7303	Discontinued
0.6158	Remote Similarity	NPD6878	Phase 2
0.6158	Remote Similarity	NPD6879	Phase 2
0.6154	Remote Similarity	NPD7617	Discontinued
0.615	Remote Similarity	NPD5665	Clinical (unspecified phase)
0.615	Remote Similarity	NPD7965	Phase 2
0.615	Remote Similarity	NPD7964	Clinical (unspecified phase)
0.6147	Remote Similarity	NPD8119	Discontinued
0.6141	Remote Similarity	NPD3901	Approved
0.614	Remote Similarity	NPD4158	Clinical (unspecified phase)
0.614	Remote Similarity	NPD8075	Discontinued

Structure

NPC73655 OpenBabel07101718182D 47 49 0 0 1 0 0 0 0 0999 V2000 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8417 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5109 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0327 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4176 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8298 -4.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 -3.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2896 -3.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4121 -4.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 33 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 18 3 1 1 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 20 29 1 0 0 0 0 20 34 1 6 0 0 0 21 15 1 1 0 0 0 21 26 1 0 0 0 0 21 35 1 0 0 0 0 22 28 1 1 0 0 0 22 38 1 0 0 0 0 23 36 2 3 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 1 0 0 0 24 36 1 0 0 0 0 25 40 1 1 0 0 0 26 41 1 1 0 0 0 27 34 2 3 0 0 0 27 42 1 0 0 0 0 28 35 2 3 0 0 0 28 43 1 0 0 0 0 29 37 1 0 0 0 0 29 44 2 0 0 0 0 30 38 1 0 0 0 0 30 45 2 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 31 46 1 0 0 0 0 33 38 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	53483403
ChEMBL	CHEMBL3633597
ZINC

Physicochemical Properties

Molecular Weight:	661.34
ALogP:	-3.3175
MLogP:	3.11
XLogP:	2.822
# Rotatable Bonds:	26
Polar Surface Area:	244.19
# H-Bond Aceptor:	16
# H-Bond Donor:	8
# Rings:	3
# Heavy Atoms:	47

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